1-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-N,2,2,3-tetramethylbutane-1,3-diamine

C15H33N3 — CID 79318789

IUPAC1-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-N,2,2,3-tetramethylbutane-1,3-diamine
SMILESCCN1CCCC1CN(C)CC(C)(C)C(C)(C)N
InChIInChI=1S/C15H33N3/c1-7-18-10-8-9-13(18)11-17(6)12-14(2,3)15(4,5)16/h13H,7-12,16H2,1-6H3
InChIKeyXSPAEYMXPIXPOW-UHFFFAOYSA-N
MW255.45 g/mol
LogP2.17
Rot. Bonds6

About 1-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-N,2,2,3-tetramethylbutane-1,3-diamine

1-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-N,2,2,3-tetramethylbutane-1,3-diamine (PubChem CID 79318789) has the molecular formula C15H33N3 and a molecular weight of 255.45 g/mol. Its IUPAC name is 1-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-N,2,2,3-tetramethylbutane-1,3-diamine.

Molecular Properties

Compound Name1-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-N,2,2,3-tetramethylbutane-1,3-diamine
PubChem CID79318789
Molecular FormulaC15H33N3
Molecular Weight255.45 g/mol
Exact Mass255.27
IUPAC Name1-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-N,2,2,3-tetramethylbutane-1,3-diamine
SMILESCCN1CCCC1CN(C)CC(C)(C)C(C)(C)N
InChIInChI=1S/C15H33N3/c1-7-18-10-8-9-13(18)11-17(6)12-14(2,3)15(4,5)16/h13H,7-12,16H2,1-6H3
InChIKeyXSPAEYMXPIXPOW-UHFFFAOYSA-N
XLogP2.17
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-N,2-dimethylpentane-1,2-diamine
CID 79319921
1-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methylpropan-2-ol
CID 112734110
2-amino-3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methylpropanenitrile
CID 79315150
3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2,2-dimethylpropan-1-ol
CID 115277941
3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2,2-dimethylpropanehydrazide
CID 79631822
methyl 3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2,2-dimethylpropanoate
CID 79620923
ethyl 2-amino-2-cyclopropyl-3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]propanoate
CID 79309509
2-amino-5-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methylpentan-1-ol
CID 79317992
N-tert-butyl-N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methylethane-1,2-diamine
CID 79314054
3-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]cyclohexan-1-amine
CID 79319830
N-[(1-ethylpyrrolidin-2-yl)methyl]-N,2,2-trimethylpropanamide
CID 79312453
2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,2-dimethylpentanamide
CID 79314761

Frequently Asked Questions

What is the IUPAC name of 1-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-N,2,2,3-tetramethylbutane-1,3-diamine?
The IUPAC name of 1-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-N,2,2,3-tetramethylbutane-1,3-diamine (CID 79318789) is 1-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-N,2,2,3-tetramethylbutane-1,3-diamine.
What is the SMILES notation for 1-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-N,2,2,3-tetramethylbutane-1,3-diamine?
The canonical SMILES for 1-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-N,2,2,3-tetramethylbutane-1,3-diamine is CCN1CCCC1CN(C)CC(C)(C)C(C)(C)N.
What is the InChIKey of 1-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-N,2,2,3-tetramethylbutane-1,3-diamine?
The InChIKey is XSPAEYMXPIXPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3/c1-7-18-10-8-9-13(18)11-17(6)12-14(2,3)15(4,5)16/h13H,7-12,16H2,1-6H3.
What are the key properties of 1-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-N,2,2,3-tetramethylbutane-1,3-diamine?
1-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-N,2,2,3-tetramethylbutane-1,3-diamine has a molecular weight of 255.45 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-N,2,2,3-tetramethylbutane-1,3-diamine is sourced from PubChem (CID 79318789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).